Geometry & MOs

Info

ID:	380037
PubChem CID:	134964516
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	-106.57
Dipole, Da:	4.95
IP(EA), eV:	-9.36(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a][1]benzazepine

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/C2=CC=CC=C2C(CO1)C

DOS

IR

Vibrations